UltraNitroCat

Catalog Number	ACM2106819649-1
CAS	2106819-64-9
Synonyms	[1-(2,6-Diethylphenyl)-3,5,5-trimethyl-3-phenylpyrrolidin-2-yl](2-isopropoxy-5-nitrobenzylidene)ruthenium(II) chloride
Molecular Weight	684.7
Molecular Formula	C33H40Cl2N2O3Ru
Canonical SMILES	CCC1=C(C(=CC=C1)CC)[N+]2=[C-]C(CC2(C)C)(C)C3=CC=CC=C3.CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C=[Ru](Cl)Cl
InChI	InChI=1S/C23H29N.C10H11NO3.2ClH.Ru/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20;1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;/h8-15H,6-7,16H2,1-5H3;3-7H,1-2H3;2*1H;/q;+2/p-2
InChI Key	WCJIUMJRUUMBIS-UHFFFAOYSA-L
Appearance	Green to dark green powder to crystal
Complexity	899
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	684.145939
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	684.145939
Rotatable Bond Count	7
Topological Polar Surface Area	58.1 Ų